3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C11H13N9O — CID 80664214

IUPAC3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCc1cc(NN)nc(Cn2nnc3c(cnn3C)c2=O)n1
InChIInChI=1S/C11H13N9O/c1-6-3-8(16-12)15-9(14-6)5-20-11(21)7-4-13-19(2)10(7)17-18-20/h3-4H,5,12H2,1-2H3,(H,14,15,16)
InChIKeyCIXUISARXUHKOJ-UHFFFAOYSA-N
MW287.29 g/mol
LogP-1.04
Rot. Bonds3

About 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 80664214) has the molecular formula C11H13N9O and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID80664214
Molecular FormulaC11H13N9O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCc1cc(NN)nc(Cn2nnc3c(cnn3C)c2=O)n1
InChIInChI=1S/C11H13N9O/c1-6-3-8(16-12)15-9(14-6)5-20-11(21)7-4-13-19(2)10(7)17-18-20/h3-4H,5,12H2,1-2H3,(H,14,15,16)
InChIKeyCIXUISARXUHKOJ-UHFFFAOYSA-N
XLogP-1.04
TPSA129.43 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 80664214) is 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cc1cc(NN)nc(Cn2nnc3c(cnn3C)c2=O)n1.
What is the InChIKey of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is CIXUISARXUHKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N9O/c1-6-3-8(16-12)15-9(14-6)5-20-11(21)7-4-13-19(2)10(7)17-18-20/h3-4H,5,12H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 287.29 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 80664214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).